N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide

C20H23FN4OS — CID 156845224

IUPACN-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3sc(C4CCNC(C)C4)cc3F)cc(C)c2n1
InChIInChI=1S/C20H23FN4OS/c1-11-6-15(10-25-9-13(3)23-19(11)25)24-20(26)18-16(21)8-17(27-18)14-4-5-22-12(2)7-14/h6,8-10,12,14,22H,4-5,7H2,1-3H3,(H,24,26)
InChIKeyUMISPBUPYVOSLV-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.26
Rot. Bonds3

About N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide

N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 156845224) has the molecular formula C20H23FN4OS and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID156845224
Molecular FormulaC20H23FN4OS
Molecular Weight386.50 g/mol
Exact Mass386.16
IUPAC NameN-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3sc(C4CCNC(C)C4)cc3F)cc(C)c2n1
InChIInChI=1S/C20H23FN4OS/c1-11-6-15(10-25-9-13(3)23-19(11)25)24-20(26)18-16(21)8-17(27-18)14-4-5-22-12(2)7-14/h6,8-10,12,14,22H,4-5,7H2,1-3H3,(H,24,26)
InChIKeyUMISPBUPYVOSLV-UHFFFAOYSA-N
XLogP4.26
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 156845224) is N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide is Cc1cn2cc(NC(=O)c3sc(C4CCNC(C)C4)cc3F)cc(C)c2n1.
What is the InChIKey of N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is UMISPBUPYVOSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS/c1-11-6-15(10-25-9-13(3)23-19(11)25)24-20(26)18-16(21)8-17(27-18)14-4-5-22-12(2)7-14/h6,8-10,12,14,22H,4-5,7H2,1-3H3,(H,24,26).
What are the key properties of N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 156845224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).